Compile Data Set for Download or QSAR

Found 809 hits of ph data with Target = 'Histone deacetylase 1'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	<0.200	<-55.4	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24621 (CG-003 | N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-...) Show SMILES ONC(=O)c1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C18H16N2O5/c21-17(20-23)12-5-7-14(8-6-12)24-10-9-19-18(22)16-11-13-3-1-2-4-15(13)25-16/h1-8,11,23H,9-10H2,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera Genomics					Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...				Mol Cancer Ther 5: 1309-17 (2006) Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24620 (CG-002 | N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}n...) Show SMILES ONC(=O)c1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H18N2O4/c23-19(17-6-5-14-3-1-2-4-16(14)13-17)21-11-12-26-18-9-7-15(8-10-18)20(24)22-25/h1-10,13,25H,11-12H2,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera Genomics					Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...				Mol Cancer Ther 5: 1309-17 (2006) Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24622 (3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...) Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7	-46.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera Genomics					Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...				Mol Cancer Ther 5: 1309-17 (2006) Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	37	-42.4	41	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24618 (CG-001 | N-hydroxy-4-[2-(phenylformamido)ethoxy]be...) Show SMILES ONC(=O)c1ccc(OCCNC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O4/c19-15(12-4-2-1-3-5-12)17-10-11-22-14-8-6-13(7-9-14)16(20)18-21/h1-9,21H,10-11H2,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	43	-41.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera Genomics					Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...				Mol Cancer Ther 5: 1309-17 (2006) Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	48	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C30H35N3O5S/c34-28(10-6-1-2-7-11-29(35)33-36)32-24-14-12-23(13-15-24)30-37-25(21-39-26-16-18-31-19-17-26)20-27(38-30)22-8-4-3-5-9-22/h3-5,8-9,12-19,25,27,30,36H,1-2,6-7,10-11,20-21H2,(H,32,34)(H,33,35)/t25-,27+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	-39.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	995	-33.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	-30.2	1.08E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24623 (4-[2-({3-[(dimethylamino)methyl]-1-benzofuran-2-yl...) Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H22N2O5/c1-23(2)13-17-16-5-3-4-6-18(16)28-19(17)20(24)22-11-12-27-15-9-7-14(8-10-15)21(25)26/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	>-24.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera Genomics					Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...				Mol Cancer Ther 5: 1309-17 (2006) Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM182756 (US9145412, Table 1, Compound 22) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nc(cnc2c1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C23H22N6OS/c24-17-5-3-15(21-2-1-11-31-21)12-19(17)28-23(30)16-4-6-18-20(13-16)26-14-22(27-18)29-9-7-25-8-10-29/h1-6,11-14,25H,7-10,24H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	n/a
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9145412 (2015) BindingDB Entry DOI: 10.7270/Q28S4NQT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM182757 (US9145412, Table 1, Compound 23) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C24H23N5OS/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	n/a
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9145412 (2015) BindingDB Entry DOI: 10.7270/Q28S4NQT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM182758 (US9145412, Table 1, Compound 33) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2n(CCN3CCOCC3)c(cc2c1)C1CC1)-c1ccccc1 Show InChI InChI=1S/C30H32N4O2/c31-26-10-8-23(21-4-2-1-3-5-21)19-27(26)32-30(35)24-9-11-28-25(18-24)20-29(22-6-7-22)34(28)13-12-33-14-16-36-17-15-33/h1-5,8-11,18-20,22H,6-7,12-17,31H2,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	n/a
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9145412 (2015) BindingDB Entry DOI: 10.7270/Q28S4NQT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM182760 (US9145412, Table 1, Compound 47) Show SMILES Nc1ccc(cc1NC(=O)c1cnc2n(CCN3CCOCC3)c(cc2c1)C1CC1)-c1cccs1 Show InChI InChI=1S/C27H29N5O2S/c28-22-6-5-19(25-2-1-13-35-25)15-23(22)30-27(33)21-14-20-16-24(18-3-4-18)32(26(20)29-17-21)8-7-31-9-11-34-12-10-31/h1-2,5-6,13-18H,3-4,7-12,28H2,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	n/a
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9145412 (2015) BindingDB Entry DOI: 10.7270/Q28S4NQT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM182759 (US9145412, Table 1, Compound 48) Show SMILES Nc1ccc(cc1NC(=O)c1cnc2n(CCN3CCOCC3)c(cc2c1)C1CC1)-c1ccncc1 Show InChI InChI=1S/C28H30N6O2/c29-24-4-3-21(19-5-7-30-8-6-19)16-25(24)32-28(35)23-15-22-17-26(20-1-2-20)34(27(22)31-18-23)10-9-33-11-13-36-14-12-33/h3-8,15-18,20H,1-2,9-14,29H2,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	n/a
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9145412 (2015) BindingDB Entry DOI: 10.7270/Q28S4NQT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.04E+4	n/a	n/a	n/a	n/a	7.4	n/a
Broad Institute					Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...				ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213154 (US9278963, 001) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)nc1 Show InChI InChI=1S/C23H24N6O3/c30-20(28-32)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(31)26-19-9-5-2-6-10-19/h1-10,15-16,32H,11-14H2,(H,26,31)(H,28,30)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213155 (US9278963, 002) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)OCc2ccccc2)c2ccccc2)nc1 Show InChI InChI=1S/C24H25N5O4/c30-21(28-32)19-15-25-22(26-16-19)27-24(20-9-5-2-6-10-20)11-13-29(14-12-24)23(31)33-17-18-7-3-1-4-8-18/h1-10,15-16,32H,11-14,17H2,(H,28,30)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213156 (US9278963, 003) Show SMILES CC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H21N5O3/c1-13(24)23-9-7-18(8-10-23,15-5-3-2-4-6-15)21-17-19-11-14(12-20-17)16(25)22-26/h2-6,11-12,26H,7-10H2,1H3,(H,22,25)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	346	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213157 (US9278963, 004) Show SMILES CCON1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H23N5O3/c1-2-26-23-10-8-18(9-11-23,15-6-4-3-5-7-15)21-17-19-12-14(13-20-17)16(24)22-25/h3-7,12-13,25H,2,8-11H2,1H3,(H,22,24)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	275	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213158 (US9278963, 005) Show SMILES CC(C)C1(CCN(CC1)C(C)=O)Nc1ncc(cn1)C(=O)NO Show InChI InChI=1S/C15H23N5O3/c1-10(2)15(4-6-20(7-5-15)11(3)21)18-14-16-8-12(9-17-14)13(22)19-23/h8-10,23H,4-7H2,1-3H3,(H,19,22)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213159 (US9278963, 006) Show SMILES CCON1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)C(C)C Show InChI InChI=1S/C15H25N5O3/c1-4-23-20-7-5-15(6-8-20,11(2)3)18-14-16-9-12(10-17-14)13(21)19-22/h9-11,22H,4-8H2,1-3H3,(H,19,21)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	697	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213182 (US9278963, 007) Show SMILES CC(C)C1(CCN(CC1)C(=O)OCc1ccccc1)Nc1ncc(cn1)C(=O)NO Show InChI InChI=1S/C21H27N5O4/c1-15(2)21(24-19-22-12-17(13-23-19)18(27)25-29)8-10-26(11-9-21)20(28)30-14-16-6-4-3-5-7-16/h3-7,12-13,15,29H,8-11,14H2,1-2H3,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213161 (US9278963, 008) Show SMILES COc1ccc(NC(=O)N2CCC(CC2)(Nc2ncc(cn2)C(=O)NO)c2ccccc2)cc1 Show InChI InChI=1S/C24H26N6O4/c1-34-20-9-7-19(8-10-20)27-23(32)30-13-11-24(12-14-30,18-5-3-2-4-6-18)28-22-25-15-17(16-26-22)21(31)29-33/h2-10,15-16,33H,11-14H2,1H3,(H,27,32)(H,29,31)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213162 (US9278963, 009) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)c2ccccc2)c2ccccc2)nc1 Show InChI InChI=1S/C22H23N5O2/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	356	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213163 (US9278963, 010) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Nc2ccccc2F)c2ccccc2)nc1 Show InChI InChI=1S/C23H23FN6O3/c24-18-8-4-5-9-19(18)27-22(32)30-12-10-23(11-13-30,17-6-2-1-3-7-17)28-21-25-14-16(15-26-21)20(31)29-33/h1-9,14-15,33H,10-13H2,(H,27,32)(H,29,31)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213164 (US9278963, 011) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)nc1 Show InChI InChI=1S/C23H22Cl2N6O3/c24-18-7-6-17(12-19(18)25)28-22(33)31-10-8-23(9-11-31,16-4-2-1-3-5-16)29-21-26-13-15(14-27-21)20(32)30-34/h1-7,12-14,34H,8-11H2,(H,28,33)(H,30,32)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213165 (US9278963, 012) Show SMILES CN(C(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N6O3/c1-29(20-10-6-3-7-11-20)23(32)30-14-12-24(13-15-30,19-8-4-2-5-9-19)27-22-25-16-18(17-26-22)21(31)28-33/h2-11,16-17,33H,12-15H2,1H3,(H,28,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	266	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213166 (US9278963, 013) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Nc2cccc(F)c2)c2ccccc2)nc1 Show InChI InChI=1S/C23H23FN6O3/c24-18-7-4-8-19(13-18)27-22(32)30-11-9-23(10-12-30,17-5-2-1-3-6-17)28-21-25-14-16(15-26-21)20(31)29-33/h1-8,13-15,33H,9-12H2,(H,27,32)(H,29,31)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213167 (US9278963, 014) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Nc2ccc(F)cc2)c2ccccc2)nc1 Show InChI InChI=1S/C23H23FN6O3/c24-18-6-8-19(9-7-18)27-22(32)30-12-10-23(11-13-30,17-4-2-1-3-5-17)28-21-25-14-16(15-26-21)20(31)29-33/h1-9,14-15,33H,10-13H2,(H,27,32)(H,29,31)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213168 (US9278963, 015) Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)(Nc2ncc(cn2)C(=O)NO)c2ccccc2)cc1 Show InChI InChI=1S/C24H26N6O3/c1-17-7-9-20(10-8-17)27-23(32)30-13-11-24(12-14-30,19-5-3-2-4-6-19)28-22-25-15-18(16-26-22)21(31)29-33/h2-10,15-16,33H,11-14H2,1H3,(H,27,32)(H,29,31)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213169 (US9278963, 016) Show SMILES CNC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213170 (US9278963, 017) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=S)Nc2ccccc2)c2ccccc2)nc1 Show InChI InChI=1S/C23H24N6O2S/c30-20(28-31)17-15-24-21(25-16-17)27-23(18-7-3-1-4-8-18)11-13-29(14-12-23)22(32)26-19-9-5-2-6-10-19/h1-10,15-16,31H,11-14H2,(H,26,32)(H,28,30)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213171 (US9278963, 018) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)S(=O)(=O)c2cccc(F)c2)c2ccccc2)nc1 Show InChI InChI=1S/C22H22FN5O4S/c23-18-7-4-8-19(13-18)33(31,32)28-11-9-22(10-12-28,17-5-2-1-3-6-17)26-21-24-14-16(15-25-21)20(29)27-30/h1-8,13-15,30H,9-12H2,(H,27,29)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	551	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213172 (US9278963, 019) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)nc1 Show InChI InChI=1S/C22H22ClN5O4S/c23-18-6-8-19(9-7-18)33(31,32)28-12-10-22(11-13-28,17-4-2-1-3-5-17)26-21-24-14-16(15-25-21)20(29)27-30/h1-9,14-15,30H,10-13H2,(H,27,29)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	854	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213173 (US9278963, 020) Show SMILES Cc1ccccc1S(=O)(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C23H25N5O4S/c1-17-7-5-6-10-20(17)33(31,32)28-13-11-23(12-14-28,19-8-3-2-4-9-19)26-22-24-15-18(16-25-22)21(29)27-30/h2-10,15-16,30H,11-14H2,1H3,(H,27,29)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	372	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213174 (US9278963, 021) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C23H25N5O4S/c1-17-7-9-20(10-8-17)33(31,32)28-13-11-23(12-14-28,19-5-3-2-4-6-19)26-22-24-15-18(16-25-22)21(29)27-30/h2-10,15-16,30H,11-14H2,1H3,(H,27,29)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	570	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213175 (US9278963, 022) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2)nc1 Show InChI InChI=1S/C23H22F3N5O4S/c24-23(25,26)18-6-8-19(9-7-18)36(34,35)31-12-10-22(11-13-31,17-4-2-1-3-5-17)29-21-27-14-16(15-28-21)20(32)30-33/h1-9,14-15,33H,10-13H2,(H,30,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	704	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213176 (US9278963, 023) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)nc1 Show InChI InChI=1S/C22H23N5O4S/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)32(30,31)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	844	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213177 (US9278963, 024) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Nc2c(F)cccc2F)c2ccccc2)nc1 Show InChI InChI=1S/C23H22F2N6O3/c24-17-7-4-8-18(25)19(17)28-22(33)31-11-9-23(10-12-31,16-5-2-1-3-6-16)29-21-26-13-15(14-27-21)20(32)30-34/h1-8,13-14,34H,9-12H2,(H,28,33)(H,30,32)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213183 (US9278963, 025) Show SMILES CC(C)[C@@H](C(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O3/c1-19(2)23(20-9-5-3-6-10-20)25(34)32-15-13-27(14-16-32,22-11-7-4-8-12-22)30-26-28-17-21(18-29-26)24(33)31-35/h3-12,17-19,23,35H,13-16H2,1-2H3,(H,31,33)(H,28,29,30)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213178 (US9278963, 026) Show SMILES CC(C)[C@H](C(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O3/c1-19(2)23(20-9-5-3-6-10-20)25(34)32-15-13-27(14-16-32,22-11-7-4-8-12-22)30-26-28-17-21(18-29-26)24(33)31-35/h3-12,17-19,23,35H,13-16H2,1-2H3,(H,31,33)(H,28,29,30)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	206	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213184 (US9278963, 027) Show SMILES C[C@@H](C(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C20H25N5O3/c1-14(15-6-4-3-5-7-15)18(27)25-10-8-20(2,9-11-25)23-19-21-12-16(13-22-19)17(26)24-28/h3-7,12-14,28H,8-11H2,1-2H3,(H,24,26)(H,21,22,23)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213179 (US9278963, 028) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)nc1 Show InChI InChI=1S/C26H26N6O3/c33-23(14-18-15-27-22-9-5-4-8-21(18)22)32-12-10-26(11-13-32,20-6-2-1-3-7-20)30-25-28-16-19(17-29-25)24(34)31-35/h1-9,15-17,27,35H,10-14H2,(H,31,34)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213180 (US9278963, 029) Show SMILES CC(C)C[C@H](C(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H33N5O3/c1-20(2)17-24(21-9-5-3-6-10-21)26(35)33-15-13-28(14-16-33,23-11-7-4-8-12-23)31-27-29-18-22(19-30-27)25(34)32-36/h3-12,18-20,24,36H,13-17H2,1-2H3,(H,32,34)(H,29,30,31)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213185 (US9278963, 030) Show SMILES CC(C)C[C@@H](C(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H33N5O3/c1-20(2)17-24(21-9-5-3-6-10-21)26(35)33-15-13-28(14-16-33,23-11-7-4-8-12-23)31-27-29-18-22(19-30-27)25(34)32-36/h3-12,18-20,24,36H,13-17H2,1-2H3,(H,32,34)(H,29,30,31)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM213181 (US9278963, 031) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Cc2cc3ccccc3[nH]2)c2ccccc2)nc1 Show InChI InChI=1S/C26H26N6O3/c33-23(15-21-14-18-6-4-5-9-22(18)29-21)32-12-10-26(11-13-32,20-7-2-1-3-8-20)30-25-27-16-19(17-28-25)24(34)31-35/h1-9,14,16-17,29,35H,10-13,15H2,(H,31,34)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM249364 (US9464073, 001 | US9884850, Compound 1) Show SMILES ONC(=O)c1cnc(NC2(CCCCC2)c2cc(F)cc(F)c2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-13-6-12(7-14(19)8-13)17(4-2-1-3-5-17)22-16-20-9-11(10-21-16)15(24)23-25/h6-10,25H,1-5H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair

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